chore: dependency updates, performance optimizations, and bug fixes - #37

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alexey-krasnov wants to merge 29 commits into

thomas0809:mainfrom

alexey-krasnov:main

Commits on Oct 14, 2024

chore: implemented dynamic adjustment of num_workers. updated gitignore
alexey-krasnov
committed
c50ac1f

Commits on Oct 25, 2024

chore: bumped dependency of rdkit to 2024.3.5
alexey-krasnov
committed
266d31c

Commits on Oct 30, 2024

chore: updated verson rdkit in requirements.txt, set num_workers equal to os.cpu_count for input images greater that 100
alexey-krasnov
committed
d8346d0

Commits on Mar 17, 2025

Commits on Mar 18, 2025

fix: fixed version of albumentations, used proper import of class from albumentations
alexey-krasnov
committed
f69a5e4

Commits on Jun 20, 2025

chore: implemented batch_size-32 for Apple MPS. Adjusted and tested timm, torch, transformers versions
alexey-krasnov
committed
94b07c9

Commits on Jul 15, 2025

Commits on Feb 3, 2026

chore: made changed according to CrystalEye42 fork
alexey-krasnov
committed
f3b9825

Commits on Feb 4, 2026

chore: added R-groups from MolNexTR
alexey-krasnov
committed
89f2fc8
chore: bumped version from 1.2.0 to 1.2.1
alexey-krasnov
committed
2e98d43

Commits on Feb 18, 2026

Commits on Apr 27, 2026

Merge pull request #4 from alexey-krasnov/build
alexey-krasnov
authored
568b285